3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium

C25H33N6O5+ — CID 143336667

IUPAC3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium
SMILESCCCOCCn1c(=O)c([NH2+]CCCN(C(C)=O)C(C)=O)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C25H32N6O5/c1-5-12-36-13-11-31-22-14-20(19-7-8-23(35-4)28-15-19)27-16-21(22)29-24(25(31)34)26-9-6-10-30(17(2)32)18(3)33/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,26,29)/p+1
InChIKeyPKNMCIPNUISDDN-UHFFFAOYSA-O
MW497.58 g/mol
LogP1.27
Rot. Bonds12

About 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium

3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium (PubChem CID 143336667) has the molecular formula C25H33N6O5+ and a molecular weight of 497.58 g/mol. Its IUPAC name is 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium.

Molecular Properties

Compound Name3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium
PubChem CID143336667
Molecular FormulaC25H33N6O5+
Molecular Weight497.58 g/mol
Exact Mass497.25
IUPAC Name3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium
SMILESCCCOCCn1c(=O)c([NH2+]CCCN(C(C)=O)C(C)=O)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C25H32N6O5/c1-5-12-36-13-11-31-22-14-20(19-7-8-23(35-4)28-15-19)27-16-21(22)29-24(25(31)34)26-9-6-10-30(17(2)32)18(3)33/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,26,29)/p+1
InChIKeyPKNMCIPNUISDDN-UHFFFAOYSA-O
XLogP1.27
TPSA133.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxypropylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992528
7-(6-methoxy-3-pyridinyl)-3-[methyl-[2-(methylamino)ethyl]amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 70316196
tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate
CID 70317979
3-[(4-hydroxycyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992634
1,1,1-trifluoro-N-[3-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]propyl]methanesulfonamide
CID 70315225
3-[2-[[methoxy(methyl)phosphanyl]amino]ethylamino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 143336664
3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11993564
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one
CID 11993462
1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one
CID 143336660
2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
CID 11993435
3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320428
7-(6-methoxy-3-pyridinyl)-4-(2-propan-2-yloxyethylamino)-1-(2-propoxyethyl)pyrido[4,3-d]pyrimidin-2-one
CID 56587955

Frequently Asked Questions

What is the IUPAC name of 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium?
The IUPAC name of 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium (CID 143336667) is 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium.
What is the SMILES notation for 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium?
The canonical SMILES for 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium is CCCOCCn1c(=O)c([NH2+]CCCN(C(C)=O)C(C)=O)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium?
The InChIKey is PKNMCIPNUISDDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H32N6O5/c1-5-12-36-13-11-31-22-14-20(19-7-8-23(35-4)28-15-19)27-16-21(22)29-24(25(31)34)26-9-6-10-30(17(2)32)18(3)33/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,26,29)/p+1.
What are the key properties of 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium?
3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium has a molecular weight of 497.58 g/mol, XLogP of 1.27, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium is sourced from PubChem (CID 143336667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).